2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine

C11H15F2N3 — CID 154754503

IUPAC2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine
SMILESCC1CCN(Cc2ncccn2)CC1(F)F
InChIInChI=1S/C11H15F2N3/c1-9-3-6-16(8-11(9,12)13)7-10-14-4-2-5-15-10/h2,4-5,9H,3,6-8H2,1H3
InChIKeyUCECSRWPCZQOIX-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.95
Rot. Bonds2

About 2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine

2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine (PubChem CID 154754503) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine
PubChem CID154754503
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine
SMILESCC1CCN(Cc2ncccn2)CC1(F)F
InChIInChI=1S/C11H15F2N3/c1-9-3-6-16(8-11(9,12)13)7-10-14-4-2-5-15-10/h2,4-5,9H,3,6-8H2,1H3
InChIKeyUCECSRWPCZQOIX-UHFFFAOYSA-N
XLogP1.95
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine?
The IUPAC name of 2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine (CID 154754503) is 2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine is CC1CCN(Cc2ncccn2)CC1(F)F.
What is the InChIKey of 2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine?
The InChIKey is UCECSRWPCZQOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3/c1-9-3-6-16(8-11(9,12)13)7-10-14-4-2-5-15-10/h2,4-5,9H,3,6-8H2,1H3.
What are the key properties of 2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine?
2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine has a molecular weight of 227.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 154754503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).